Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(1E)-1-[4-(2-methylpropyl)phenyl]ethylidene}-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STL346575
SMILES CC(Cc1ccc(cc1)/C(=N/NC(=O)c1nnn(c1CSc1nncn1C)c1nonc1N)/C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C21H25N11O2S MW 495.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N11O2S/c1-12(2)9-14-5-7-15(8-6-14)13(3)24-26-20(33)17-16(10-35-21-27-23-11-31(21)4)32(30-25-17)19-18(22)28-34-29-19/h5-8,11-12H,9-10H2,1-4H3,(H2,22,28)(H,26,33)/b24-13+
InChIKey
UOSOUUOTYFPCMN-ZMOGYAJESA-N
Synonyms
5297-29-0
(E)1(4amino125oxadiazol3yl)N(1(4isobutylphenyl)ethylidene)5(((4methyl4H124triazol3yl)thio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((1E)1(4(2methylpropyl)phenyl)ethylidene)5(((4methyl4H124triazol3yl)sulfanyl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)1(4(2methylpropyl)phenyl)ethylideneamino)5((4methyl124triazol3yl)sulfanylmethyl)triazole4carboxamide
5297290
CC(C)CC1=CC=C(C=C1)C(=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=NN=CN4C)C
CC(Cc1ccc(cc1)C(=NNC(=O)c1nnn(c1CSc1nncn1C)c1nonc1N)C)C
InChI=1SC21H25N11O2Sc112(2)9145715(8614)13(3)242620(33)1716(10352127231131(21)4)32(302517)1918(22)28342919h581112H910H214H3(H22228)(H2633)b2413+
MFCD05678208
ZINC000009232965
ZINC33788291

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Available files

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